Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | GABRP | O00591 | 1/20 | 0.37 |
| ▸ | GABRD | O14764 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14844251 | 0.87 | CYP2A6 (0.47) | ALDH1A1PTGS2MAPT | |
| SCHEMBL1459537 | 0.85 | SMN1; SMN2 (0.40) | SMN1; SMN2POLBALDH1A1HTTTDP1 | |
| SCHEMBL1458796 | 0.75 | GSK3B (0.34) | SMN1; SMN2POLBALDH1A1PTGS2MAPT | |
| SCHEMBL1458892 | 0.75 | CYP2A6 (0.43) | ALDH1A1PTGS2 | |
| SCHEMBL14844403 | 0.74 | KLK3 (0.34) | ALDH1A1 | |
| SCHEMBL5292301 | 0.72 | AURKA (0.48) | SMN1; SMN2POLBALDH1A1HTTRAB9A | |
| SCHEMBL8445837 | 0.72 | SMN1; SMN2 (0.51) | SMN1; SMN2POLBALDH1A1HTTRAB9A | |
| SCHEMBL1925748 | 0.71 | NR1H2 (0.39) | SMN1; SMN2POLBALDH1A1HTTPTGS2 | |
| SCHEMBL6335193 | 0.70 | SMN1; SMN2 (0.79) | SMN1; SMN2POLBALDH1A1HTTTDP1 | |
| SCHEMBL1458784 | 0.70 | SMN1; SMN2 (0.50) | SMN1; SMN2POLBALDH1A1HTTTDP1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2480529-A1 | INDOLE DERIVATIVES AS CRAC MODULATORS | F. Hoffmann-La Roche AG (CH) | 2012-08-01 | — | — | EP | disclosed |
| WO-2011036130-A1 | INDOLE DERIVATIVES AS CRAC MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-31 | — | — | WO | disclosed |